N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide

C7H12N2 — CID 138552732

IUPACN'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C\C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)4-5-9-6-8-3/h4-7H,3H2,1-2H3/b5-4-,9-6+
InChIKeyUYEGXEZFQCVBOL-KMOPYBJPSA-N
MW124.19 g/mol
LogP1.88
Rot. Bonds3

About N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide

N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide (PubChem CID 138552732) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide
PubChem CID138552732
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C\C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)4-5-9-6-8-3/h4-7H,3H2,1-2H3/b5-4-,9-6+
InChIKeyUYEGXEZFQCVBOL-KMOPYBJPSA-N
XLogP1.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide (CID 138552732) is N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide is C=N/C=N/C=C\C(C)C.
What is the InChIKey of N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide?
The InChIKey is UYEGXEZFQCVBOL-KMOPYBJPSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)4-5-9-6-8-3/h4-7H,3H2,1-2H3/b5-4-,9-6+.
What are the key properties of N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide?
N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 138552732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).